![N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide structure](/static/products/851/851177-05-4.png)
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
TL;DR: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide (CAS 851177-05-4) is a chemical compound with molecular formula C21H22FN3O4 and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
Also Known As: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide, N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2-fluorobenzamide, N-[2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-2-fluoro-benzamide
| Molecular Formula | C21H22FN3O4 |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 1.6286 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.15942 |
| Heavy Atoms | 29 |
| Complexity | 912.54926 |
Chemical Identifiers
| CAS Number | 851177-05-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=CC=C4F |
Product Overview
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide (CAS 851177-05-4), with molecular formula C21H22FN3O4 and molecular weight 399.16 g/mol. IUPAC: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide.
Chemical Property Profile of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
Property Insights of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
The XLogP value of 1.6286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
The CAS number of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide is 851177-05-4.
What is the molecular formula of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
The molecular formula of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide is C21H22FN3O4.
What is the molecular weight of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
The molecular weight of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide is 399.16 g/mol.
Where can I buy N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
You can request a quote for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.